Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : O61

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 63


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C20 C C20 N N N 0 -2.577 -0.502 0.248
2 C21 C C21 N Y N 0 -3.767 0.271 -0.159
3 O22 O O22 N N N 0 -2.667 -1.34 1.124
4 C23 C C23 N Y N 0 -3.67 1.231 -1.169
5 C24 C C24 N Y N 0 -4.779 1.951 -1.551
6 C25 C C25 N Y N 0 -4.999 0.042 0.46
7 C26 C C26 N Y N 0 -6.108 0.768 0.072
8 C27 C C27 N Y N 0 -6.01 1.731 -0.937
9 N28 N N28 N N N 0 -7.114 2.466 -1.348
10 C29 C C29 N N N 0 -8.215 2.688 -0.633
11 C30 C C30 N N N 0 -8.43 2.142 0.751
12 S31 S S31 N N N 0 -7.666 0.488 0.852
13 O32 O O32 N N N 0 -9.09 3.368 -1.125
14 N19 N N19 N N N 0 -1.391 -0.278 -0.352
15 C17 C C17 S N N 0 -0.21 -1.045 0.052
16 C16 C C16 N N N 0 1.034 -0.254 -0.264
17 O39 O O39 N N N 0 0.943 0.841 -0.775
18 C18 C C18 N N N 0 -0.178 -2.371 -0.709
19 C34 C C34 N Y N 0 -2.553 -3.112 -0.99
20 C33 C C33 N Y N 0 -1.359 -3.214 -0.301
21 C38 C C38 N Y N 0 -1.247 -4.092 0.761
22 C35 C C35 N Y N 0 -3.636 -3.884 -0.615
23 C37 C C37 N Y N 0 -2.332 -4.86 1.14
24 C36 C C36 N Y N 0 -3.526 -4.758 0.45
25 C1 C C1 N Y N 0 7.55 1.664 0.431
26 C2 C C2 N Y N 0 8.22 1.445 -0.757
27 C6 C C6 N Y N 0 6.407 0.934 0.726
28 C3 C C3 N Y N 0 7.75 0.502 -1.655
29 C4 C C4 N Y N 0 6.608 -0.223 -1.364
30 C5 C C5 N Y N 0 5.934 -0.008 -0.178
31 CL7 CL CL7 N N N 0 8.593 0.23 -3.147
32 N8 N N8 N Y N 0 5.726 1.154 1.933
33 C9 C C9 N Y N 0 6.051 2.026 2.911
34 N10 N N10 N Y N 0 5.151 1.908 3.852
35 N11 N N11 N Y N 0 4.279 1.02 3.535
36 N12 N N12 N Y N 0 4.553 0.519 2.379
37 C13 C C13 N N N 0 4.691 -0.798 0.138
38 C14 C C14 N N N 0 3.457 0.003 -0.284
39 N15 N N15 N N N 0 2.248 -0.765 0.023
40 H23 H H23 N N N 0 -2.72 1.409 -1.652
41 H24 H H24 N N N 0 -4.695 2.692 -2.332
42 H25 H H25 N N N 0 -5.084 -0.701 1.239
43 HN28 H HN28 N N N 0 -7.08 2.852 -2.237
44 H30 H H30 N N N 0 -7.97 2.808 1.482
45 H30A H H30A N N N 0 -9.498 2.063 0.95
46 HN19 H HN19 N N N 0 -1.319 0.391 -1.051
47 H17 H H17 N N N 0 -0.253 -1.242 1.123
48 H18 H H18 N N N 0 -0.224 -2.176 -1.781
49 H18A H H18A N N N 0 0.745 -2.902 -0.476
50 H34 H H34 N N N 0 -2.639 -2.428 -1.823
51 H38 H H38 N N N 0 -0.314 -4.172 1.3
52 H35 H H35 N N N 0 -4.569 -3.804 -1.154
53 H37 H H37 N N N 0 -2.246 -5.543 1.972
54 H36 H H36 N N N 0 -4.372 -5.361 0.744
55 H1 H H1 N N N 0 7.918 2.4 1.13
56 H2 H H2 N N N 0 9.111 2.01 -0.986
57 H4 H H4 N N N 0 6.242 -0.959 -2.066
58 H9 H H9 N N N 0 6.898 2.696 2.916
59 H13 H H13 N N N 0 4.713 -1.743 -0.405
60 H13A H H13A N N N 0 4.647 -0.995 1.209
61 H14 H H14 N N N 0 3.434 0.948 0.259
62 H14A H H14A N N N 0 3.5 0.2 -1.355
63 HN15 H HN15 N N N 0 2.321 -1.642 0.432